Glycoside
GD058622
Name:
NoneFormula:
C14H17O7N3Smiles:
COC(=O)c1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(C#N)n1Aglycone:
COC(=O)c1ccc(N)c(C#N)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 339.3 | Num_heavy_atoms: | 24 |
| TPSA: | 165.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD29282
Formula: C8H7O2N3
Smiles:
COC(=O)c1ccc(N)c(C#N)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.16 | Num_heavy_atoms: | 13 |
| TPSA: | 89.0 | NumAromaticRings: | 1 |
